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DOE OSTI · 1711005

Materials Data on SrFe2AsP by Materials Project

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Abstract

SrFe2AsP is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal I4mm space group. The structure is three-dimensional. Sr2+ is bonded in a body-centered cubic geometry to four equivalent As3- and four equivalent P3- atoms. All Sr–As bond lengths are 3.25 Å. All Sr–P bond lengths are 3.26 Å. Fe2+ is bonded to two equivalent As3- and two equivalent P3- atoms to form a mixture of corner and edge-sharing FeAs2P2 tetrahedra. Both Fe–As bond lengths are 2.32 Å. Both Fe–P bond lengths are 2.20 Å. As3- is bonded in a 8-coordinate geometry to four equivalent Sr2+ and four equivalent Fe2+ atoms. P3- is bonded in a 4-coordinate geometry to four equivalent Sr2+ and four equivalent Fe2+ atoms.

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36 MATERIALS SCIENCEAs-Fe-P-Srcrystal structureSrFe2AsP

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2019-01-12. Materials Data on SrFe2AsP by Materials Project. https://doi.org/10.17188/1711005

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